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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02252961

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.75
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.72
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.86
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1GH00.86
MENN-METHYL ASPARAGINEA,B,C,D1XF60.86
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.86
MENN-METHYL ASPARAGINEA,B1I7Y0.86
MENN-METHYL ASPARAGINEA,B3BRP0.86
MENN-METHYL ASPARAGINEA,B1JBO0.86
MENN-METHYL ASPARAGINEA,B1ALL0.86
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.86
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1HA70.86
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.86
MENN-METHYL ASPARAGINEA,B1KTP0.86
MENN-METHYL ASPARAGINEA,B1PHN0.86
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.86
MENN-METHYL ASPARAGINEA,B,C,D1XG00.86
MENN-METHYL ASPARAGINEA,B2VJT0.86
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.86
MENN-METHYL ASPARAGINEA,B2V8A0.86
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.86
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.77
NSKN-SUCCINYL LYSINEA2P8B0.72
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.77
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.82
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.82
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.82
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.82
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.82
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.87
DSGD-ASPARAGINEA,B2Q330.78
DSGD-ASPARAGINEA2IH00.78
DSGD-ASPARAGINEA2JUE0.78
DSGD-ASPARAGINEA1A850.78
DSGD-ASPARAGINEA1T5N0.78
DSGD-ASPARAGINEA2IGZ0.78
DSGD-ASPARAGINEA,B,C,D3BOG0.78
DSGD-ASPARAGINEA1T5M0.78
DSGD-ASPARAGINEA,B1HXB0.78
BUJ(3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoateA,B2RCU0.7
NSNN~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDENE)ASPARAGINATEA1UHE0.73
SNNL-3-AMINOSUCCINIMIDEA,B2IMZ0.73
SNNL-3-AMINOSUCCINIMIDEA,B3C030.73
SNNL-3-AMINOSUCCINIMIDEA3ESM0.73
SNNL-3-AMINOSUCCINIMIDEA,B2OMK0.73
SNNL-3-AMINOSUCCINIMIDEA1AT50.73
SNNL-3-AMINOSUCCINIMIDEA1JBE0.73
SNNL-3-AMINOSUCCINIMIDEA1WL80.73
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.73
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.7
AN0N-ACETYL-L-NORVALINEA1ZQ80.7
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA,B,D,E,F3FDM0.71
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA3HF00.71
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA3C3H0.71
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.77